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Showing results 1 to 4 of 4

1
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

Shao, Yihan; Gan, Zhengting; Epifanovsky, Evgeny; Gilbert, Andrew T. B.; Wormit, Michael; Kussmann, Joerg; Lange, Adrian W.; et al, MOLECULAR PHYSICS, v.113, no.2, pp.184 - 215, 2015-01

2
Feasibility of Activation Energy Prediction of Gas-Phase Reactions by Machine Learning

Choi, Sunghwan; Kim, Yeonjoon; Kim, Jin Woo; Kim, Zeehyo; Kim, Woo Youn, CHEMISTRY-A EUROPEAN JOURNAL, v.24, no.47, pp.12354 - 12358, 2018-08

3
Mechanism of Redox-Active Ligand-Assisted Nitrene-Group Transfer in a Zr-IV Complex: Direct Ligand-to-Ligand Charge Transfer Preferred

Ghosh, Soumya; Baik, Mu-Hyun, CHEMISTRY-A EUROPEAN JOURNAL, v.21, no.4, pp.1780 - 1789, 2015-01

4
On the Mechanism of Irreversible Carbon Dioxide Binding with a Frustrated Lewis Pair: Solvent-Assisted Frustration and Transition-State Entropic Encouragement

Kwon, Hee Jae; Kim, Hyun Woo; Rhee, Young Min, CHEMISTRY-A EUROPEAN JOURNAL, v.17, no.23, pp.6501 - 6507, 2011-05

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